2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C12H11FN2OS — CID 831465

IUPAC2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2OS/c1-8-7-17-12(14-8)15-11(16)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyDCYYCTAICHOMME-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.77
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 831465) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID831465
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2OS/c1-8-7-17-12(14-8)15-11(16)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyDCYYCTAICHOMME-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 831465) is 2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DCYYCTAICHOMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8-7-17-12(14-8)15-11(16)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,14,15,16).
What are the key properties of 2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 250.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 831465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).